Showing metabocard for Glutamylaspartic acid (BMDB0063867)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:27:11 UTC
Update Date2020-04-22 15:55:37 UTC
BMDB IDBMDB0063867
Secondary Accession Numbers
  • BMDB63867
Metabolite Identification
Common NameGlutamylaspartic acid
DescriptionGlutamylaspartic acid, also known as a-glutamylaspartate or alpha-L-glu-L-asp, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review a significant number of articles have been published on Glutamylaspartic acid.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
alpha-Glu-aspChEBI
alpha-Glutamylaspartic acidChEBI
alpha-L-Glu-L-aspChEBI
E-DChEBI
EDChEBI
L-Glu-L-aspChEBI
a-Glu-aspGenerator
Α-glu-aspGenerator
a-GlutamylaspartateGenerator
a-Glutamylaspartic acidGenerator
alpha-GlutamylaspartateGenerator
Α-glutamylaspartateGenerator
Α-glutamylaspartic acidGenerator
a-L-Glu-L-aspGenerator
Α-L-glu-L-aspGenerator
GlutamylaspartateGenerator
e-D DipeptideHMDB
ED dipeptideHMDB
Glu-aspHMDB
Glutamate aspartate dipeptideHMDB
Glutamate-aspartate dipeptideHMDB
L-Glutamyl-L-aspartateHMDB
Α-L-glutamyl-L-aspartic acidHMDB
Α-L-glutamyl-L-aspartateHMDB
L-Α-glutamyl-L-aspartic acidHMDB
L-Α-glutamyl-L-aspartateHMDB
N-Α-glutamylaspartic acidHMDB
N-Α-glutamylaspartateHMDB
N-Α-L-glutamyl-L-aspartic acidHMDB
N-Α-L-glutamyl-L-aspartateHMDB
N-L-Α-glutamylaspartic acidHMDB
N-L-Α-glutamylaspartateHMDB
N-L-Α-glutamyl-L-aspartic acidHMDB
N-L-Α-glutamyl-L-aspartateHMDB
alpha-L-Glutamyl-L-aspartic acidHMDB
alpha-L-Glutamyl-L-aspartateHMDB
L-alpha-Glutamyl-L-aspartic acidHMDB
L-alpha-Glutamyl-L-aspartateHMDB
N-alpha-Glutamylaspartic acidHMDB
N-alpha-GlutamylaspartateHMDB
N-alpha-L-Glutamyl-L-aspartic acidHMDB
N-alpha-L-Glutamyl-L-aspartateHMDB
N-L-alpha-Glutamyaspartic acidHMDB
N-L-alpha-GlutamylaspartateHMDB
N-L-alpha-Glutamyl-L-aspartic acidHMDB
N-L-alpha-Glutamyl-L-aspartateHMDB
NSC 186905HMDB
L-Glutamyl-L-aspartic acidHMDB
N-Glutamylaspartic acidHMDB
N-GlutamylaspartateHMDB
N-L-Glutamyl-L-aspartic acidHMDB
N-L-Glutamyl-L-aspartateHMDB
Glutamyl-aspartic acidHMDB
Glutamyl-aspartateHMDB
Glutamic acid aspartic acid dipeptideHMDB
Glutamic acid aspartate dipeptideHMDB
Glutamate aspartic acid dipeptideHMDB
Glutamic acid-aspartic acid dipeptideHMDB
Glutamic acid-aspartate dipeptideHMDB
Glutamate-aspartic acid dipeptideHMDB
Glutamylaspartic acidHMDB, ChEBI
Chemical FormulaC9H14N2O7
Average Molecular Weight262.218
Monoisotopic Molecular Weight262.080100799
IUPAC Name(2S)-2-[(2S)-2-amino-4-carboxybutanamido]butanedioic acid
Traditional Name(2S)-2-[(2S)-2-amino-4-carboxybutanamido]butanedioic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/t4-,5-/m0/s1
InChI KeyFYYSIASRLDJUNP-WHFBIAKZSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassPeptidomimetics
Sub ClassHybrid peptides
Direct ParentHybrid peptides
Alternative Parents
Substituents
  • Hybrid peptide
  • Aspartic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Acyl-l-homoserine
  • Acyl-homoserine
  • Gamma amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Tricarboxylic acid or derivatives
  • Amino fatty acid
  • Fatty acyl
  • Amino acid or derivatives
  • Amino acid
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Amine
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3.2ALOGPS
logP-4.6ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)2.98ChemAxon
pKa (Strongest Basic)8.45ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area167.02 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity54.62 m³·mol⁻¹ChemAxon
Polarizability23.63 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0028815
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111860
KNApSAcK IDNot Available
Chemspider ID90091
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound99716
PDB IDNot Available
ChEBI ID73503
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available